1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea

C16H19N3O — CID 108900770

IUPAC1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(CCNC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C16H19N3O/c1-12-5-3-7-14(11-12)9-10-17-16(20)19-15-8-4-6-13(2)18-15/h3-8,11H,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyMGPDVMWJXBFUES-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea

1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 108900770) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID108900770
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(CCNC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C16H19N3O/c1-12-5-3-7-14(11-12)9-10-17-16(20)19-15-8-4-6-13(2)18-15/h3-8,11H,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyMGPDVMWJXBFUES-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
1-[3-(3-methylphenyl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100614312
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 75477406
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea (CID 108900770) is 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(CCNC(=O)Nc2cccc(C)n2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is MGPDVMWJXBFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-3-7-14(11-12)9-10-17-16(20)19-15-8-4-6-13(2)18-15/h3-8,11H,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108900770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).